CID 10511797

Tert-butyl (2s)-2-(hydroxymethyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC(C)(C)OC(=O)N1CC[C@H]1CO
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(10)6-11/h7,11H,4-6H2,1-3H3/t7-/m0/s1
InChIKey
XIRUXUKRGUFEKC-ZETCQYMHSA-N
Compound name
tert-butyl (2S)-2-(hydroxymethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

560
Patents

187.12085 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.128126 143.4
[M+Na]+ 210.110068 148.5
[M-H]- 186.113574 144.2
[M+NH4]+ 205.154673 155.0
[M+K]+ 226.084008 151.3
[M+H-H2O]+ 170.118110 132.9
[M+HCOO]- 232.119051 160.1
[M+CH3COO]- 246.134701 183.0
[M+Na-2H]- 208.095516 146.7
[M]+ 187.12030142 152.7
[M]- 187.12139858 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe